5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine

C13H20ClN3O — CID 80870663

IUPAC5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OC2CCCCCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-15-13-16-9-11(14)12(17-13)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyLLQFJIHFQLUBBU-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.66
Rot. Bonds4

About 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine

5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine (PubChem CID 80870663) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
PubChem CID80870663
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(OC2CCCCCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-15-13-16-9-11(14)12(17-13)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyLLQFJIHFQLUBBU-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
5-chloro-4-(cyclopentylmethoxy)-N-ethylpyrimidin-2-amine
CID 80877801
5-chloro-4-(4,4-dimethylcyclohexyl)oxy-N-propylpyrimidin-2-amine
CID 114342894
N-ethyl-4-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80877178
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
4-cyclohexyloxy-N-ethylpyrimidin-2-amine
CID 80858273
N-ethyl-5-methyl-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 102608905
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine (CID 80870663) is 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(OC2CCCCCC2)n1.
What is the InChIKey of 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine?
The InChIKey is LLQFJIHFQLUBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-15-13-16-9-11(14)12(17-13)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine?
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80870663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).